GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 231
TrivialName Polyacetyleneginsenoside-Ro
Type OA
MF C₆₅H₁₀₀O₂₁
MolecularWeight 1217.494
IUPACName NT
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES CC1(C)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](C(OC(CCCCCCC)C(CC#CC#CC(C=C)O)O)=O)O2)CC[C@@]4(C)C1CC[C@]5(C)C4CC=C6[C@@]5(C)CC[C@]7(C(O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)=O)C6CC(C)(C)CC7
Canonical SMILES C=CC(O)C#CC#CCC(O)C(CCCCCCC)OC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
Source PG
Functions NT
Year 2002
References

Zhang et al. (2002)

Structure Polyacetyleneginsenoside-Ro